![CAS 923226-69-1 1-[[(2-FLUOROPHENYL)AMINO]CARBONYL]PIPERIDINE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2751913.gif)
CAS RN: 923226-69-1
1-[[(2-FLUOROPHENYL)AMINO]CARBONYL]PIPERIDINE-3-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-205940
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
923226-69-1 / 1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
Basic Information
CAS
923226-69-1
Multi CAS
No
Molecular Formula
C13FH15N2O3
Molecular Weight
266.270000
Exact Mass
266.106671
InChI
InChI=1S/C13H15FN2O3/c14-10-5-1-2-6-11(10)15-13(19)16-7-3-4-9(8-16)12(17)18/h1-2,5-6,9H,3-4,7-8H2,(H,15,19)(H,17,18)
InChIKey
KPDQYWXXBXYFHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.35
TPSA
69.64
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
1.2
Consensus LogP
1.75
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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